CID 3060562

78218-70-9

Structural Information

Molecular Formula
C12H26Cl3N2O3P
SMILES
CCN(CC)CC(CCCl)OP(=O)(N(CCCl)CCCl)O
InChI
InChI=1S/C12H26Cl3N2O3P/c1-3-16(4-2)11-12(5-6-13)20-21(18,19)17(9-7-14)10-8-15/h12H,3-11H2,1-2H3,(H,18,19)
InChIKey
RRUROMZWMHLMQX-UHFFFAOYSA-N
Compound name
[4-chloro-1-(diethylamino)butan-2-yl]oxy-N,N-bis(2-chloroethyl)phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.07468 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08196 185.1
[M+Na]+ 405.06390 189.7
[M-H]- 381.06740 184.0
[M+NH4]+ 400.10850 199.4
[M+K]+ 421.03784 186.0
[M+H-H2O]+ 365.07194 179.6
[M+HCOO]- 427.07288 197.6
[M+CH3COO]- 441.08853 224.4
[M+Na-2H]- 403.04935 182.6
[M]+ 382.07413 194.8
[M]- 382.07523 194.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.